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139373-60-7 | 1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)-
CAS No: 139373-60-7 Catalog No: AG001AWK MDL No:
Product Description
Catalog Number:
AG001AWK
Chemical Name:
1,4-Anthracenedione, 5,6,7-tris(1,1-dimethylethyl)-
CAS Number:
139373-60-7
Molecular Formula:
C26H32O2
Molecular Weight:
376.5311
IUPAC Name:
5,6,7-tritert-butylanthracene-1,4-dione
InChI:
InChI=1S/C26H32O2/c1-24(2,3)19-13-15-12-17-18(21(28)11-10-20(17)27)14-16(15)22(25(4,5)6)23(19)26(7,8)9/h10-14H,1-9H3
InChI Key:
UQABXRDNBUXVSU-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1cc1c(c2)cc(c(c1C(C)(C)C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.24g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.54g/mol
Monoisotopic Mass:
376.24g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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